2-Bromo-5-nitrothiophene

C₄H₂BrNO₂SCAS 13195-50-1208.03 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₄H₂BrNO₂S
Molar mass: 208.03 g/mol
Exact mass: 206.8990 Da
Melting point: 45–46 °C
Boiling point: 235–237 °C
logP: 2.42Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

13195-50-1

SMILES

O=[N+]([O-])c1ccc(Br)s1

InChIKey

ZPNFMDYBAQDFDY-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Thiophene, 2-bromo-5-nitro-
2-Nitro-5-bromothiophene
5-Bromo-2-nitrothiophene
NSC 511505

Work with 2-Bromo-5-nitrothiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Nitro-2-thiophenecarboxaldehyde4521-33-952 % similar 5-Nitro-2-thiophenecarboxylic acid6317-37-947 % similar 2-Bromo-5-nitrothiazole3034-48-847 % similar 2,5-Dibromothiophene3141-27-344 % similar Methyl 5-nitro-2-thiophenecarboxylate5832-01-944 % similar 1-Bromo-4-nitrobenzene586-78-741 % similar 3,5-Dinitro-2-thiophenamine2045-70-740 % similar 1-Bromo-2-nitrobenzene577-19-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook